SCHEMBL6286017

SCHEMBL6286017

N#Cc1cccc(-c2ocnc2CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
CLK4 Q9HAZ1 1/20 0.42
GRK6 P43250 2/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
FAAH O00519 1/20 0.40
F11 P03951 1/20 0.40
PIN1 Q13526 1/20 0.40
HCRTR2 O43614 1/20 0.39
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.38
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
GRM5 P41594 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1167684 0.80 PIN1 (0.51) NOTUMEGLN1PTGDR2CLK4XDH
SCHEMBL27851076 0.79 ACMSD (0.42) HCRTR2GRM5
SCHEMBL16612913 0.78 NOTUM (0.45) NOTUMEGLN1PTGDR2CLK4GRK6
SCHEMBL27817800 0.77 NOTUM (0.44) NOTUMHCRTR2FFAR1
SCHEMBL27832722 0.75 GRM5 (0.43) F11HCRTR2FFAR1GRM5
SCHEMBL13116225 0.74 PTGDR2 (0.51) PTGDR2GRK6XDHSLC22A12MMP12
SCHEMBL5470802 0.73 HCRTR2 (0.50) NOTUMEGLN1CLK4XDHSLC22A12
SCHEMBL27837182 0.73 AGBL2 (0.40) HCRTR2
SCHEMBL27832740 0.72 SLC7A5 (0.42)
SCHEMBL31226109 0.71 MMP12 (0.64) XDHSLC22A12MMP12MMP13FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 NOTUM 1781/4885EGLN1 479/4885PTGDR2 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.